benzyl 2-methyl butyrate 56423-40-6

benzyl 2-methyl butyrate

Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).

IUPAC name :

phenylmethyl 2-methylbutanoate

InChI :

InChI=1/C12H16O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3

InChIKey :

PTKDIBUNVYIPOD-UHFFFAOYAL

SMILES :

CCC(C)C(=O)OCC1=CC=CC=C1

(EINECS) number :	260-169-3
cas number :	56423-40-6
coe number :	10523
fl. number :	09.313
molar refractivity :	56.06 ± 0.3 cm3
parachor :	465.1 ± 4.0 cm3
index of refraction :	1.495 ± 0.02
surface tension :	34.3 ± 3.0 dyne/cm
density :	1.000 ± 0.06 g/cm3
polarizability :	22.22 ± 0.5 10-24cm3
xlogp :	3.10
molecular weight :	192.2542400
formula :	C12 H16 O2

export tariff code :

unspecified

fda reg :

unspecified

organoleptics :

properties :

appearence :

colorless to pale yellow clear liquid

assay :

99.00 - 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.98200 - 0.99400 @ 25.00 °C.

pounds per gallon - calc. :

8.171 to 8.271

refractive index :

1.48600 - 1.49500 @ 20.00 °C.

boiling point :

247.00 - 248.00 °C. @ 760.00 mm Hg

logp :

3.34

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Maximised Survey-derived Daily Intakes (MSDI-EU) :

7.30 (μg/capita/day)

modified Theoretical Added Maximum Daily Intake (mTAMDI) :

3700 (μg/person/day)

Threshold of concern :

1800 (μg/person/day)

flash point ( Deg. F. ) :

210.00 °F. TCC ( 98.89 °C. )

recommendation for benzyl 2-methyl butyrate usage levels up to :

1.0000 % in the fragrance concentrate.

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).

Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.

Dairy products, excluding products of category 02.0 (01.0) :

7.00000

35.00000

Fats and oils, and fat emulsions (type water-in-oil) (02.0) :

5.00000

25.00000

Edible ices, including sherbet and sorbet (03.0) :

10.00000

50.00000

Processed fruit (04.1) :

7.00000

35.00000

Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) :

Confectionery (05.0) :

10.00000

50.00000

Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) :

5.00000

25.00000

Bakery wares (07.0) :

10.00000

50.00000

Meat and meat products, including poultry and game (08.0) :

2.00000

10.00000

Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) :

2.00000

10.00000

Eggs and egg products (10.0) :

Sweeteners, including honey (11.0) :

Salts, spices, soups, sauces, salads, protein products, etc. (12.0) :

5.00000

25.00000

Foodstuffs intended for particular nutritional uses (13.0) :

10.00000

50.00000

Non-alcoholic ("soft") beverages, excl. dairy products (14.1) :

5.00000

25.00000

Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) :

Ready-to-eat savouries (15.0) :

20.00000

100.00000

Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) :

5.00000

25.00000

safety links :

(EINECS) number :

chemidplus :

epa-srs :

EPI System :

other :

references :

fl. number :

09.313

pubchem :

668664

NIST Chemistry WebBook :

1257538311

synonyms :
	benzyl 2-methyl butyrate
2-	methyl butanoic acid phenyl methyl ester
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
data page	champaca concrete @ trace%
data page	feverfew flower oil @ 0.5%

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home